SCHEMBL1685298

SCHEMBL1685298

CC(C)c1cccc(C(C)(C)C)c1C([NH])=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP2C19 P33261 1/20 0.40
CA2 P00918 2/20 0.39
GABRA1 P14867 2/20 0.39
GABRG2 P18507 2/20 0.39
GABRB3 P28472 2/20 0.39
LMNA P02545 2/20 0.39
FAAH O00519 1/20 0.39
CA1 P00915 1/20 0.39
CYP1A2 P05177 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
GABRB1 P18505 1/20 0.39
PTGS1 P23219 1/20 0.39
SLC6A2 P23975 1/20 0.39
HTR2C P28335 1/20 0.39
GABRA5 P31644 1/20 0.39
GABRA3 P34903 1/20 0.39
HTR2B P41595 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1685254 0.83 CA2 (0.50) ALDH1A1CA2GABRA1TSHRPTGS1
SCHEMBL1685285 0.83 GABRA1 (0.50) CYP3A4CA2GABRA1GABRG2GABRB3
SCHEMBL1274731 0.83 CYP3A4 (0.40) CYP3A4ALDH1A1CYP2C19CA2GABRA1
SCHEMBL17245281 0.80 CA12 (0.46) CYP3A4ALDH1A1CYP2C19CA2CA1
SCHEMBL1685284 0.76 GABRA1 (0.37) CYP3A4CA2GABRA1GABRG2GABRB3
SCHEMBL1274717 0.72 GABRA1 (0.41) CYP3A4ALDH1A1CYP2C19CA2GABRA1
SCHEMBL56957 0.72 GABRA1 (0.64) CYP3A4ALDH1A1CYP2C19CA2GABRA1
Hydrogen Peroxide SCHEMBL49977 0.71 GABRA1 (0.48) CYP3A4ALDH1A1CYP2C19CA2GABRA1
SCHEMBL1685282 0.71 CA2 (0.38) ALDH1A1CA2GABRA1TSHRPTGS1
SCHEMBL4667743 0.71 GABRA1 (0.46) CYP3A4ALDH1A1CYP2C19CA2GABRA1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 40 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110536907-B Method for producing multipolymer, rubber composition and tire 株式会社普利司通 2022-06-17 CN disclosed
CN-110520449-B Method for producing multipolymer, rubber composition and tire 株式会社普利司通 2021-09-21 CN disclosed
CN-108350129-B Multipolymer, rubber composition, crosslinked rubber composition and rubber product 株式会社普利司通 2021-03-09 CN disclosed
CN-108137759-B Multipolymer, rubber composition, crosslinked rubber composition and rubber product 株式会社普利司通 2021-03-09 CN disclosed
CN-108137745-B Multipolymer, rubber composition, crosslinked rubber composition and rubber product 株式会社普利司通 2021-03-09 CN disclosed
CN-108137758-B Multipolymer, rubber composition, crosslinked rubber composition and rubber product 株式会社普利司通 2020-10-23 CN disclosed
CN-108137765-B Multipolymer, rubber composition, crosslinked rubber composition and rubber product 株式会社普利司通 2020-09-18 CN disclosed
CN-108137766-B Multipolymer, rubber composition, crosslinked rubber composition and rubber product 株式会社普利司通 2020-09-04 CN disclosed
CN-108290972-B Polymerization catalyst composition and method for producing conjugated diene polymer 株式会社普利司通 2020-06-26 CN disclosed
CN-111315789-A Copolymer, method for producing copolymer, rubber composition, and tire 株式会社普利司通 2020-06-19 CN disclosed
US-20050170951-A1 Catalyst composition RIKEN (JP) 2005-08-04 US disclosed
EP-1541593-A1 CATALYST COMPOSITION RIKEN (JP) 2005-06-15 EP disclosed
EP-1500667-A1 CATALYST COMPOSITION Riken (JP) 2005-01-26 EP disclosed
US-6683140-B2 Catalyst for polymerization RIKEN (JP) 2004-01-27 US disclosed
US-20030166458-A1 Block copolymerization of a conjugated diene and an aromatic vinyl compound, which comprises the steps of carrying out homopolymerization of the conjugated diene in the presence of a catalyst composition comprising the following RIKEN (JP) 2003-09-04 US disclosed
US-6596828-B1 polymerization of a conjugated diene or copolymerization of a conjugated diene and an aromatic vinyl compound, which comprises the following components: (A) a metallocene-type complex of a rare earth metal compound (samarium complex RIKEN (JP) 2003-07-22 US disclosed
US-20030018144-A1 Catalyst composition RIKEN (JP) 2003-01-23 US disclosed
EP-1270626-A1 CATALYST COMPOSITION AND PROCESS FOR PRODUCING COPOLYMER Riken (JP) 2003-01-02 EP disclosed
US-20020119889-A1 Catalyst for polymerization RIKEN (JP) 2002-08-29 US disclosed
EP-1086957-A1 CATALYST COMPOSITION Riken (JP) 2001-03-28 EP disclosed